NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2609 8.4045 120.3242 55.4341 33.7648 175.3423 2 K 3.5739 8.3990 119.2975 55.1165 28.1049 170.9670 3 A 4.2719 7.7951 125.5983 51.7026 20.6437 178.1841 4 V 3.7756 8.4880 122.5010 65.3072 31.9590 176.6255 5 V 4.5994 7.2663 109.6885 58.3791 35.3816 173.4672 6 P 4.4359 0.0000 0.0000 63.3423 31.7572 176.4712 7 T 4.5771 8.9973 110.3869 61.0719 70.9441 173.6864 8 G 3.7399 8.4351 111.9420 46.4510 0.0000 173.0262 9 K 4.8771 8.9934 126.2148 54.6984 34.7650 175.2333 10 I 4.5030 8.6527 127.4257 60.4097 39.0053 174.7883 11 Y 4.7532 8.9760 129.1765 56.2082 39.6355 174.1778 12 L 4.5347 8.5363 131.1134 53.9815 41.4540 175.6287 13 G 3.5798 8.0154 112.7507 45.2495 0.0000 170.0893 14 S 5.2546 8.1890 115.9818 57.1371 65.1007 174.5031 15 P 4.4916 0.0000 0.0000 62.7552 32.2717 175.8838 16 F 4.3728 5.8468 119.5683 57.4244 39.0190 174.3139 17 Y 4.6634 7.7047 118.2003 57.9330 39.9117 176.8573 18 S 4.7698 7.5329 113.5929 55.9208 67.1797 174.6911 19 D 4.1312 8.3121 121.1572 57.3544 40.6299 178.7857 20 A 3.8788 7.8279 120.7335 55.2917 18.4117 179.5911 21 Q 3.7250 7.5937 116.2387 59.1048 28.7905 179.1645 22 R 3.5656 7.5740 119.0872 58.9638 29.9721 178.7400 23 E 3.8757 8.1899 119.2682 59.1974 29.5992 179.0993 24 R 3.8716 7.7411 117.6909 59.2240 30.0713 178.8411 25 A 3.9144 8.0128 120.2606 55.0290 18.2701 179.5885 26 A 3.7769 7.9945 119.2113 55.1634 18.4739 179.8358 27 K 3.8215 8.1879 117.9872 59.4246 32.1741 178.8188 28 A 3.9368 8.5659 121.5647 55.1034 18.3182 179.6574 29 K 3.7559 7.8652 116.8882 59.6109 31.8854 179.3540 30 E 3.8947 7.6021 117.0562 59.4200 29.8316 179.1622 31 L 4.0668 7.8581 118.8966 57.8535 41.6978 179.6580 32 L 4.0701 8.2582 118.9953 57.6637 41.2823 179.4064 33 A 4.0603 7.8449 119.9511 54.6258 18.3611 178.9872 34 K 4.3372 7.6173 114.5801 56.2657 32.6639 176.4127 35 N 5.0355 8.0756 119.6365 51.2148 38.8692 173.7014 36 P 4.5133 0.0000 0.0000 64.4797 31.8626 177.0124 37 S 4.5079 8.5117 113.8153 58.9495 63.7110 173.3198 38 I 4.7568 7.4846 122.4164 60.5726 37.4972 175.3823 39 A 4.5686 9.3405 129.0288 53.7936 20.5814 176.7132 40 H 4.8427 7.8017 112.5197 55.1055 33.6210 172.7250 41 V 4.6330 7.9616 123.2659 61.0237 34.1130 174.0521 42 F 4.6865 9.3624 131.0274 56.4141 41.5832 173.8405 43 F 4.6951 7.8605 128.8136 55.4429 40.6968 173.6646 44 P 3.5420 0.0000 0.0000 65.3864 30.6876 177.0485 45 F 4.0970 6.1249 114.3406 57.5278 38.7151 176.2677 46 D 4.3745 7.2495 121.2876 55.8325 41.0639 175.4922 47 D 4.8766 7.7183 118.4785 52.5182 43.1466 176.5030 48 G 4.1455 8.5371 112.6031 43.9015 0.0000 171.8922 49 F 4.7993 8.5348 120.7955 56.6775 40.8093 174.8515 50 T 4.3334 7.1870 122.7667 61.6325 70.3806 173.4107 51 D 4.5905 8.5435 127.0179 52.2299 40.9500 174.9001 52 P 4.2139 0.0000 0.0000 65.3280 31.5043 177.4633 53 D 4.3530 8.2509 116.5697 55.7884 41.3614 175.6501 54 E 4.1214 8.2012 122.2272 55.8188 29.7114 176.7296 55 K 3.4305 9.0291 128.4980 58.1484 30.8077 175.3159 56 N 4.8246 8.6277 122.9900 49.7698 38.6156 174.5647 57 P 4.0699 0.0000 0.0000 62.5893 31.9341 176.8415 58 E 4.3812 8.3844 119.5965 53.6528 30.9396 171.8869 59 I 3.9482 8.0837 126.4844 64.6405 36.1297 175.7447 60 G 3.8250 8.6220 113.5650 45.3515 0.0000 172.7061 61 G 3.8817 8.0885 109.3387 43.9742 0.0000 173.3112 62 I 3.5078 7.9725 118.6955 63.7157 37.2196 173.1776 63 R 4.2680 7.8825 124.5593 55.7505 30.2592 177.3042 64 S 4.3507 9.1035 117.8470 58.8235 64.8812 175.4795 65 M 4.1452 8.6368 122.3443 58.5504 32.0505 178.9058 66 V 3.5772 7.8138 118.3181 65.7042 31.8091 177.6397 67 W 4.2756 8.2942 127.7118 60.4644 30.4784 178.0671 68 R 3.8377 8.4005 118.0150 59.3833 29.6046 178.6208 69 D 4.2912 8.3322 118.6108 57.3841 40.8728 178.8839 70 A 3.5818 7.6080 120.9317 55.2944 18.1897 179.8920 71 T 3.4167 7.2654 114.2925 66.5990 68.3642 176.3002 72 Y 3.9462 7.8947 121.7714 60.8689 38.7409 178.1312 73 Q 3.6887 8.0085 120.2661 58.9671 29.0508 177.8713 74 N 4.2321 7.8599 117.7328 56.3800 38.3021 177.1239 75 D 4.5568 7.9274 120.1609 57.0155 40.7598 178.6733 76 L 3.4763 7.1875 119.1344 57.4223 41.6258 179.2908 77 T 3.8098 8.0395 116.3447 66.4500 68.3224 176.8883 78 G 2.7951 7.5551 107.6295 47.3759 0.0000 175.9512 79 I 3.2780 6.4991 120.9021 63.8830 37.1309 178.0466 80 S 4.2062 7.9010 113.1002 61.6882 62.3194 175.7845 81 N 4.3936 8.1304 117.7129 55.1836 38.6204 176.0144 82 A 4.3476 7.3980 122.2351 52.5955 19.0208 177.0474 83 T 4.5029 8.7430 110.6357 62.7984 70.3453 174.4670 84 C 5.0205 8.0456 121.2643 57.9967 35.5814 172.5720 85 G 4.6667 9.0378 111.5879 44.8265 0.0000 173.0445 86 V 5.0444 8.5792 122.6025 61.2285 34.6929 173.9167 87 F 5.3721 9.4187 128.0200 55.9326 41.1460 175.6991 88 L 4.8206 8.9377 125.5673 54.2420 40.6189 174.1950 89 Y 4.3727 9.2271 124.1344 56.5384 39.9997 173.6459 90 D 4.9203 8.4469 127.9782 54.4340 41.2905 175.7447 91 M 4.3718 9.2382 126.2946 56.5872 32.1124 177.2929 92 D 4.6567 8.4208 118.0816 55.5537 41.9881 176.4942 93 Q 4.4697 8.2256 118.2009 52.7668 29.2260 173.8907 94 L 3.6639 8.2633 120.5339 55.2274 42.5131 177.1264 95 D 4.8320 8.2555 122.5012 52.6610 42.2982 176.5980 96 D 4.6687 8.7965 128.7949 56.1638 39.2726 178.6191 97 G 3.7162 8.3703 106.4087 47.9448 0.0000 175.3311 98 S 4.6807 8.1297 116.2726 61.4558 63.2522 176.4422 99 A 4.2942 8.2910 123.4071 54.9257 18.0002 179.8460 100 F 4.0824 8.5483 116.0258 59.3139 39.2008 176.8162 *102 I 3.7458 7.7862 119.5324 60.7351 39.0324 178.2399 103 G 3.4949 8.0451 106.8384 47.6056 0.0000 175.5182 104 F 3.7526 8.3188 123.1434 61.3082 39.4422 177.2055 105 M 4.1582 8.1051 117.8473 58.5634 31.8588 178.8667 106 R 3.9477 8.2391 118.0029 58.9171 29.9633 178.8969 107 A 3.8637 7.6669 119.9545 54.5802 18.3744 178.5279 108 M 4.1560 7.2051 114.8246 55.1366 32.2794 176.4556 109 H 4.1465 7.6556 115.0923 56.2920 27.0214 174.7632 110 K 4.5270 7.8723 119.1939 55.1120 32.8508 175.4456 111 P 4.5787 0.0000 0.0000 63.0481 33.2280 175.2015 112 V 5.0042 8.7057 120.6691 61.5147 34.8808 173.9662 113 I 4.8775 9.2059 129.3660 59.8868 39.1902 174.2391 114 L 4.7981 9.0149 129.7391 53.5256 44.2087 175.3704 115 V 5.4437 9.1989 127.3143 59.3844 31.9112 171.7851 116 P 5.2631 0.0000 0.0000 62.2791 33.0431 175.6033 117 F 5.1223 9.5063 120.7307 56.2787 43.1761 173.8172 118 T 5.0974 8.5610 116.9730 61.8441 70.0280 173.9588 119 E 4.4409 9.8713 123.2320 56.6027 30.7319 175.8249 120 H 5.0929 7.8578 115.5431 53.8997 29.0053 172.2779 121 P 4.3896 0.0000 0.0000 64.7601 31.7731 177.7961 122 E 4.1380 8.0884 115.0838 58.1532 30.0928 177.1922 123 K 4.1941 7.5968 118.2254 55.4855 32.7132 176.1823 124 E 3.8444 8.5748 121.2062 56.8847 29.9960 176.7549 125 K 4.4893 8.5171 125.5218 55.4614 32.5892 175.5387 126 K 5.4741 8.7116 123.4194 54.9047 35.7741 175.6810 127 M 4.9464 9.4165 122.5297 53.5869 36.3504 173.9661 128 N 3.4421 8.5544 123.0026 52.7892 40.0822 175.3749 129 L 3.8030 7.6189 127.2405 58.7722 42.0677 179.4073 130 M 3.9585 7.8588 117.8729 58.3618 31.8613 178.6688 131 I 3.6001 7.4722 119.1344 64.0822 37.2968 178.0677 132 A 3.8283 7.7784 120.5447 54.6334 18.2223 178.6459 133 Q 4.3010 8.1131 116.9248 57.7041 29.6875 177.8242 134 G 3.5785 7.8590 106.4241 46.6755 0.0000 174.6550 135 V 3.7079 7.0356 120.4300 62.9848 32.2085 175.5100 136 T 4.4691 8.4633 115.4561 63.0487 71.0151 174.6761 137 T 5.0541 7.7193 118.0407 61.7941 72.9628 172.6006 138 I 4.8304 8.3631 126.2642 59.3042 40.7242 175.0506 139 I 4.5930 8.6610 128.9026 59.3655 41.0875 174.1231 140 D 4.3782 9.4855 128.8289 54.6291 41.3700 177.5015 141 G 2.0000 8.3818 114.2775 48.9033 0.0000 174.8306 142 N 4.6618 7.9941 117.3239 55.3122 38.8143 175.8098 143 T 4.6198 7.9492 104.8338 61.0269 70.6321 174.3577 144 E 4.7214 8.3771 121.1357 55.6711 30.9103 177.2395 145 F 4.6268 8.7972 126.3579 62.6446 39.1891 177.5127 146 E 3.9992 8.3962 116.9206 60.8846 29.4190 180.8531 147 K 4.2960 8.3152 117.1710 59.5607 31.8012 179.0183 148 L 4.1944 7.7759 117.9162 57.3294 41.6315 178.6605 149 A 4.4796 8.2393 120.4157 53.6591 18.3335 178.1087 150 D 4.8560 7.7977 113.9522 53.9086 43.0666 175.8495 151 Y 3.8884 8.0796 121.7065 57.6231 39.1629 174.9944 152 N 4.5269 7.6513 125.2893 53.0238 37.7822 174.9079 153 F 4.6797 8.8030 123.4699 58.2554 39.3933 176.9671 154 N 4.7114 8.6986 118.6492 54.1935 38.6175 175.7265 155 E 4.4584 7.9806 113.1564 55.0073 32.0788 175.4067 156 C 4.1070 7.9186 115.4069 58.2947 25.8261 171.1374 157 P 4.2453 0.0000 0.0000 62.8694 31.9497 177.3396 158 S 4.6565 8.4257 118.1130 58.5523 63.6426 174.4668 159 N 4.8057 8.8937 120.8923 51.8465 40.0346 171.5214 160 P 4.4747 0.0000 0.0000 62.0685 32.2211 176.6354 161 V 3.8029 8.1479 121.7622 63.0777 32.0381 175.4445 162 R 4.6474 8.3131 124.3973 56.0833 34.0151 175.4888 163 G 3.9048 8.9882 107.4391 45.6459 0.0000 172.6632 164 Y 4.7489 7.6784 117.0123 55.7239 39.9521 176.0785 165 G 3.9167 9.4159 111.8873 46.4939 0.0000 172.2473 166 I 5.2553 8.6521 122.8401 58.2444 39.2940 175.3443 167 Y 4.4137 7.9553 123.3787 57.0991 38.0490 175.3893 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.40 4.26 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.82 0.00 2 K 8.40 3.57 0.00 2.00 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.07 7.81 3 A 7.80 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.49 3.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 5 V 7.27 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.44 0.00 2.07 2.10 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 7 T 9.00 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 8 G 8.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 4.88 0.00 1.82 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.58 7.81 10 I 8.65 4.50 1.71 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.25 0.74 0.00 0.00 11 Y 8.98 4.75 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.54 4.53 0.00 1.59 1.75 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.19 5.25 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.49 0.00 2.30 2.16 0.00 3.98 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 16 F 5.85 4.37 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.70 4.66 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.53 4.77 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.31 4.13 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.83 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.59 3.73 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 22 R 7.57 3.57 0.00 1.65 1.51 0.00 2.73 0.00 0.00 2.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 23 E 8.19 3.88 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 24 R 7.74 3.87 0.00 1.79 1.39 0.00 2.61 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.46 0.00 25 A 8.01 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.99 3.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.19 3.82 0.00 1.98 2.12 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.01 1.34 7.81 28 A 8.57 3.94 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.87 3.76 0.00 1.90 1.75 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.29 7.81 30 E 7.60 3.89 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 31 L 7.86 4.07 0.00 1.64 1.61 0.14 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.26 4.07 0.00 1.61 1.66 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.84 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.62 4.34 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 N 8.08 5.04 0.00 2.88 2.92 0.00 0.00 7.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.51 0.00 2.24 2.18 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 37 S 8.51 4.51 0.00 4.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.48 4.76 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.76 0.88 0.00 0.00 39 A 9.34 4.57 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 7.80 4.84 0.00 3.18 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.96 4.63 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.83 0.00 0.00 42 F 9.36 4.69 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.86 4.70 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 3.54 0.00 1.42 1.99 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.48 0.00 45 F 6.12 4.10 0.00 1.91 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.25 4.37 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.72 4.88 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.54 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.53 4.80 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.19 4.33 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 51 D 8.54 4.59 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.21 0.00 2.08 2.09 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 53 D 8.25 4.35 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.20 4.12 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 55 K 9.03 3.43 0.00 1.81 1.49 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.04 7.81 56 N 8.63 4.82 0.00 2.71 2.65 0.00 0.00 6.62 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.07 0.00 1.92 1.83 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 58 E 8.38 4.38 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.85 0.00 59 I 8.08 3.95 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.96 0.00 0.00 60 G 8.62 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.97 3.51 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.91 0.00 0.00 63 R 7.88 4.27 0.00 1.97 1.83 0.00 2.67 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.63 0.00 64 S 9.10 4.35 0.00 4.10 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.64 4.15 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 66 V 7.81 3.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 67 W 8.29 4.28 0.00 3.67 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.40 3.84 0.00 2.16 1.98 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 69 D 8.33 4.29 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.61 3.58 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.27 3.42 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 72 Y 7.89 3.95 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.01 3.69 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 74 N 7.86 4.23 0.00 2.84 2.88 0.00 0.00 6.95 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.93 4.56 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.19 3.48 0.00 1.42 1.29 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.04 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 78 G 7.56 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 6.50 3.28 1.62 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.87 0.00 0.00 80 S 7.90 4.21 0.00 3.76 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.13 4.39 0.00 2.59 2.81 0.00 0.00 7.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.40 4.35 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.74 4.50 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 84 C 8.05 5.02 0.00 3.19 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.04 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.58 5.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 87 F 9.42 5.37 0.00 3.10 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.94 4.82 0.00 1.64 1.66 1.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.23 4.37 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.45 4.92 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 9.24 4.37 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.09 0.00 92 D 8.42 4.66 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 *102 I 7.79 3.75 1.74 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.36 0.66 0.00 0.00 103 G 8.05 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.32 3.75 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.11 4.16 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 106 R 8.24 3.95 0.00 1.73 1.90 0.00 3.45 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 107 A 7.67 3.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 7.21 4.16 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 109 H 7.66 4.15 0.00 3.32 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 119 E 9.87 4.44 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 120 H 7.86 5.09 0.00 3.19 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.39 0.00 2.05 2.13 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 122 E 8.09 4.14 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 123 K 7.60 4.19 0.00 2.01 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.39 7.81 124 E 8.57 3.84 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 125 K 8.52 4.49 0.00 1.56 1.22 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.32 1.35 7.81 126 K 8.71 5.47 0.00 1.76 2.02 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.51 7.81 127 M 9.42 4.95 0.00 1.82 1.50 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 128 N 8.55 3.44 0.00 2.75 2.55 0.00 0.00 6.72 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.62 3.80 0.00 1.85 1.54 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 130 M 7.86 3.96 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 131 I 7.47 3.60 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.38 0.00 0.00 132 A 7.78 3.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.11 4.30 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 134 G 7.86 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.04 3.71 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.77 0.00 0.00 136 T 8.46 4.47 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 137 T 7.72 5.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 138 I 8.36 4.83 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 0.97 0.00 0.00 139 I 8.66 4.59 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 0.93 0.00 0.00 140 D 9.49 4.38 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.99 4.66 0.00 2.86 2.89 0.00 0.00 6.66 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.95 4.62 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 144 E 8.38 4.72 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 145 F 8.80 4.63 0.00 3.34 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.40 4.00 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 147 K 8.32 4.30 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.61 7.81 148 L 7.78 4.19 0.00 1.71 1.90 1.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.24 4.48 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.80 4.86 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.08 3.89 0.00 2.98 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.65 4.53 0.00 2.52 2.33 0.00 0.00 7.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.80 4.68 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.70 4.71 0.00 2.89 2.89 0.00 0.00 6.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.98 4.46 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 156 C 7.92 4.11 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.25 0.00 2.00 1.96 0.00 2.68 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 158 S 8.43 4.66 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.89 4.81 0.00 2.80 2.68 0.00 0.00 7.37 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.47 0.00 2.09 1.99 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 161 V 8.15 3.80 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.86 0.00 0.00 162 R 8.31 4.65 0.00 1.82 1.78 0.00 3.31 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 163 G 8.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Y 7.68 4.75 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 9.42 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 8.65 5.26 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.82 0.00 0.00 167 Y 7.96 4.41 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.